Geometry & MOs

Info

ID:	67345
PubChem CID:	46506313
Reduced:	SN2O6C25H28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	616.15076
ΔH_f, kcal/mol:	-169.06
Dipole, Da:	8.02
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(4-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide

Drug info:

PubChemData

Smile

COCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC(=O)OC4=CC=CC=C43)OC)OC

DOS

IR

Vibrations